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Terahertz Landau Polaritons in Nano-slots: Ultrastrong Coupling under Extreme Spatial Confinement

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Terahertz Landau Polaritons in Nano-slots: Ultrastrong Coupl...

International Conference on Infrared and Millimeter Waves

作者： Dasom Kim Sunghwan Kim Dukhyung Lee Shuang Liang Fuyang Tay Michael J. Manfra Dai-Sik Kim Junichiro Kono Department of Electrical and Computer Engineering Rice University Houston TX USA Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston TX USA Department of Physics Long-wavelength Nanotechnology Laboratory and Quantum Photonics Institute Ulsan National Institute of Science and Technology (UNIST) Ulsan South Korea Department of Physics and Astronomy Purdue University West Lafayette IN USA Birck Nanotechnology Center Purdue University West Lafayette IN USA Elmore Family School of Electrical and Computer Engineering Purdue University West Lafayette IN USA School of Materials Engineering Purdue University West Lafayette IN USA Department of Physics and Astronomy Rice University Houston TX USA Department of Material Science and NanoEngineering Rice University Houston TX USA

We report ultrastrong coupling of the cyclotron resonance of a two-dimensional electron gas in a GaAs quantum well to terahertz cavity photons under extreme confinement to the nanometer scale. This was realized by an array of nano-slots fabricated close to the quantum well layer on the GaAs substrate. Our terahertz magnetospectroscopic measurements revealed two polariton branches as a function of applied magnetic field. While the photon-like part of the two polariton branches was clearly observed, the matter-like part was generally elusive. Our electromagnetic simulations quantitatively reproduce our observation for the upper-polariton branch. However, for the lower-polariton branch, our simulations predict a pronounced resonance, which was absent in experimental spectra. This discrepancy may be a consequence of the breakdown of the dipole approximation in this extreme confinement situation.

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Ultrastrong Spin-Photon Coupling in Gadolinium Gallium Garnet

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Ultrastrong Spin-Photon Coupling in Gadolinium Gallium Garne...

Conference on Lasers and Electro-Optics (CLEO)

作者： T. Elijah Kritzell Junzhe Bao Jacques Doumani Jae Joon Lee Hongjing Xu Fuyang Tay Hiroyuki Nojiri Motoaki Bamba Andrey Baydin Junichiro Kono Department of Electrical and Computer Engineering Rice University Houston Texas USA Applied Physics Graduate Program Smalley-Curl Institute Rice University Houston Texas USA Department of Physics and Astronomy Rice University Houston Texas USA Institute for Materials Research Tohoku University Senai Japan The Hakubi Center for Advanced Research Kyoto University Kyoto Japan Department of Physics I Kyoto University Kyoto Japan Smalley-Curl Institute Rice University Houston Texas USA Department of Material Science and NanoEngineering Rice University Houston Texas USA

We examine ultrastrong coupling of an ensemble of paramagnetic spins in Gd 3 Ga 5 O 12 with terahertz photons in the presence of a high external magnetic field both in the bulk and thin-film limits.

ISBN: (纸本)9781957171258

We examine ultrastrong coupling of an ensemble of paramagnetic spins in Gd 3 Ga 5 O 12 with terahertz photons in the presence of a high external magnetic field both in the bulk and thin-film limits.

关键词： CCD cameras Condensed matter Magnetic fields Photons Quantum optics Terahertz spectroscopy

Machine Learning-Enhanced Design of Lead-Free Halide Perovskite materials Using Density Functional Theory

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arXiv 2024年

作者： Kumar, Upendra Kim, Hyeon Woo Maurya, Gyanendra Kumar Raj, Bincy Babu Singh, Sobhit Kushwaha, Ajay Kumar Cho, Sung Beom Ko, Hyunseok Jinju52851 Korea Republic of Department of Materials Science and Engineering Hanyang University Seoul04763 Korea Republic of Department of Physics GLA University Mathura281406 India School of Material Science and Engineering Pusan National University 2 Busandaehak-ro 63beon-gil Geumjeong-gu Busan46241 Korea Republic of Department of Mechanical Engineering The University of Rochester New York14611 United States Materials Science Program University of Rochester RochesterNY14627 United States Department of Metallurgy Engineering and Materials Science Indian Institute of Technology Indore Khandwa Road Simrol Indore453552 India Department of Energy Systems Research Ajou University Suwon16499 Korea Republic of

The investigation of emerging non-toxic perovskite materials has been undertaken to advance the fabrication of environmentally sustainable lead-free perovskite solar cells. This study introduces a machine learning methodology aimed at predicting innovative halide perovskite materials that hold promise for use in photovoltaic applications. The seven newly predicted materials are as follows: CsMnCl4, Rb3Mn2Cl9, Rb4MnCl6, Rb3MnCl5, RbMn2Cl7, RbMn4Cl9, and CsIn2Cl7. The predicted compounds are first screened using a machine learning approach, and their validity is subsequently verified through density functional theory calculations. CsMnCl4 is notable among them, displaying a bandgap of 1.37 eV, falling within the Shockley-Queisser limit, making it suitable for photovoltaic applications. Through the integration of machine learning and density functional theory, this study presents a methodology that is more effective and thorough for the discovery and design of materials. © 2024, CC BY.

关键词： Density functional theory

Local number fluctuations in ordered and disordered phases of water across temperatures: Higher-order moments and degrees of tetrahedrality

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arXiv 2024年

作者： Klatt, Michael A. Kim, Jaeuk Gartner, Thomas E. Torquato, Salvatore Institute for AI Safety and Security Wilhelm-Runge-Str. 10 Ulm89081 Germany Institute for Material Physics in Space Köln51170 Germany Department of Physics Ludwig-Maximilians-Universität München Schellingstr. 4 Munich80799 Germany Department of Chemistry Princeton University PrincetonNJ08544 United States Department of Physics Princeton University PrincetonNJ08544 United States Princeton Materials Institute Princeton University PrincetonNJ08544 United States Department of Chemical & Biomolecular Engineering Lehigh University BethlehemPA18015 United States Program in Applied and Computational Mathematics Princeton University PrincetonNJ08544 United States

The isothermal compressibility (i.e., the asymptotic number variance) of equilibrium liquid water as a function of temperature is minimal near ambient conditions. This anomalous non-monotonic temperature dependence is due to a balance between thermal fluctuations and the formation of tetrahedral hydrogen-bond networks. Since tetrahedrality is a many-body property, it will also influence the higher-order moments of density fluctuations, including the skewness and kurtosis. To gain a more complete picture, we examine these higher-order moments that encapsulate many-body correlations using a recently developed, advanced platform for local density fluctuations. We study an extensive set of simulated phases of water across a range of temperatures (80 K to 1600 K) with various degrees of tetrahedrality, including ice phases, equilibrium liquid water, supercritical water, and disordered nonequilibrium quenches. We find clear signatures of tetrahedrality in the higher-order moments, including the skewness and excess kurtosis, that scale for all cases with the degree of tetrahedrality. More importantly, this scaling behavior leads to non-monotonic temperature dependencies in the higher-order moments for both equilibrium and non-equilibrium phases. Specifically, at near-ambient conditions, the higher-order moments vanish most rapidly for large length scales, and the distribution quickly converges to a Gaussian in our metric. However, at non-ambient conditions, higher-order moments vanish more slowly and hence become more relevant especially for improving information-theoretic approximations of hydrophobic solubility. The temperature non-monotonicity that we observe in the full distribution across length-scales could shed light on water's nested anomalies, i.e., reveal new links between structural, dynamic, and thermodynamic anomalies. © 2024, CC BY-NC-ND.

关键词： Higher order statistics

Unravelling Exothermic Reaction Dynamics in Polyurethane Polymerization: A Thermo-Kinetic Simulation Approach

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SSRN

SSRN 2023年

作者： Mendija, Leanne Christie C. Dingcong, Roger G. Alfeche, Fortia Louise Adeliene M. Al-Moameri, Harith H. Dumancas, Gerard G. Malaluan, Roberto M. Alguno, Arnold C. Lubguban, Arnold A. Center for Sustainable Polymers Mindanao State University Iligan Institute of Technology Iligan City9200 Philippines Material Science and Engineering Program Graduate School of Engineering Mindanao State University Iligan Institute of Technology Iligan City9200 Philippines Department of Materials Engineering Mustansiriyah University Baghdad10052 Iraq Department of Chemistry The University of Scranton ScrantonPA18510 United States Department of Chemical Engineering and Technology Mindanao State University Iligan Institute of Technology Iligan City9200 Philippines Department of Physics Mindanao State University Iligan Institute of Technology Iligan City9200 Philippines

The pursuit of sustainable polyurethane product development necessitates a profound understanding of precursor materials, particularly polyol since polyurethane properties are heavily influenced by the type of polyol employed during polyurethane production. While traditional polyurethanes are solely derived from hydroxyl functionalized polyols, the emergence of amine-hydroxyl hybrid polyols has garnered significant attention due to their potential for enhancing polyurethane product properties. These hybrid polyols are characterized by the presence of both amine and hydroxyl functional groups. However, characterizing these polyols remains a daunting challenge due to the lack of established experimental testing standards for properties, such as fractional hydroxyl and amine moieties, and thermo-kinetic parameters for amine reactions with isocyanates. To bridge these gaps, this study employed a computational simulation approach to determine the fractions of moieties in both traditional and hybrid polyols. Additionally, this study determined the thermo-kinetic parameters for exothermic isocyanate reactions with amine moieties in hybrid polyols. The computational method integrated energy balance and reaction kinetics analysis for various polyols to elucidate the influence of functional moieties on the thermo-kinetic behavior of polyurethane formations. Validation of the simulated results was conducted by comparing their experimental and simulated gel and foam temperature profiles, highlighting the direct influence of fractional moieties on polyurethane formations. The comparisons revealed an average relative error of less than 5%, indicating the accuracy and credibility of the simulation. Thus, this study represents a pivotal opportunity for advancing knowledge and driving sustainable developments in biobased polyol characterization for polyurethane production streamlining and formulation optimization. © 2023, The Authors. All rights reserved.

关键词： Polymerization

Room-temperature multiple ligands-tailored SnO_(2) quantum dots endow in situ dual-interface binding for upscaling efficient perovskite photovoltaics with high V_(OC)

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Light(Science & Applications) 2021年第12期10卷 2467-2481页

作者： Zhiwei Ren Kuan Liu Hanlin Hu Xuyun Guo Yajun Gao Patrick W.K.Fong Qiong Liang Hua Tang Jiaming Huang Hengkai Zhang Minchao Qin Li Cui Hrisheekesh Thachoth Chandran Dong Shen Ming-Fai Lo Annie Ng Charles Surya Minhua Shao Chun-Sing Lee Xinhui Lu Frédéric Laquai Ye Zhu Gang Li Department of Electronic and Information Engineering Research Institute for Smart Energy(RISE)Guangdong-Hong Kong-Macao(GHM)Joint Laboratory for Photonic-Thermal-Electrical Energy Materials and DevicesThe Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Department of Electrical and Computer Engineering Nazarbayev UniversityNur-SultanKazakhstan The Hong Kong Polytechnic University Shenzhen Research Institute Shenzhen 518057China Hoffmann Institute of Advanced Materials Shenzhen Polytechnic7098 Liuxian BoulevardShenzhen 518055China Department of Applied Physics The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Department of Chemical and Biological Engineering The Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina King Abdullah University of Science and Technology(KAUST) KAUST Solar Center(KSC)Physical Sciences and Engineering Division(PSE)Material Science and Engineering Program(MSE)Thuwal 23955-6900Kingdom of Saudi Arabia Department of Physics The Chinese University of Hong KongShatin 999077 Hong KongChina Center of Super-Diamond and Advanced Films(COSDAF) Department of ChemistryCity University of Hong KongHong KongChina

The benchmark tin oxide(SnO_(2))electron transporting layers(ETLs)have enabled remarkable progress in planar perovskite solar cell(PSCs).However,the energy loss is still a challenge due to the lack of“hidden interface”*** report a novel ligand-tailored ultrafine SnO_(2) quantum dots(QDs)via a facile rapid room temperature ***,the ligand-tailored SnO_(2) QDs ETL with multi-functional terminal groups in situ refines the buried interfaces with both the perovskite and transparent electrode via enhanced interface binding and perovskite *** novel ETLs induce synergistic effects of physical and chemical interfacial modulation and preferred perovskite crystallization-directing,delivering reduced interface defects,suppressed non-radiative recombination and elongated charge carrier *** conversion efficiency(PCE)of 23.02%(0.04 cm^(2))and 21.6%(0.98 cm^(2),V_(OC) loss:0.336 V)have been achieved for the blade-coated PSCs(1.54 eV E_(g))with our new ETLs,representing a record for SnO_(2) based blade-coated ***,a substantially enhanced PCE(V_(OC))from 20.4%(1.15 V)to 22.8%(1.24 V,90 mV higher V_(OC),0.04 cm^(2) device)in the blade-coated 1.61 eV PSCs system,via replacing the benchmark commercial colloidal SnO_(2) with our new ETLs.

关键词： perovskite interface quantum

Conditional Generative Modeling for Amorphous Multi-Element materials

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arXiv 2025年

作者： Li, Honglin Liu, Chuhao Guo, Yongfeng Luo, Xiaoshan Chen, Yijie Liu, Guangsheng Li, Yu Wang, Ruoyu Wang, Zhenyu Wu, Jianzhuo Ma, Cheng Xie, Zhuohang Lv, Jian Ding, Yufei Zhang, Huabin Luo, Jian Zhong, Zhicheng Li, Mufan Wang, Yanchao Li, Wan-Lu Key Laboratory of Material Simulation Methods and Software Ministry of Education College of Physics Jilin University Changchun China Aiiso Yufeng Li Family Department of Chemical and Nano Engineering University of California La Jolla San DiegoCA United States Institute of Molecular Engineering Plus College of Chemistry Fuzhou University Fuzhou China College of Chemistry and Molecular Engineering Peking University Beijing China School of Physics Nankai University Tianjin China Institute of Modern Physics Fudan University Shanghai China Program in Materials Science and Engineering University of California La Jolla San DiegoCA United States School of Artificial Intelligence and Data Science University of Science and Technology of China Hefei230026 China Suzhou Institute for Advanced Research University of Science and Technology of China Suzhou215123 China International Center of Future Science Jilin University Changchun China Department of Computer Science and Engineering University of California La Jolla San DiegoCA United States Center for Renewable Energy and Storage Technologies Physical Science and Engineering Division King Abdullah University of Science and Technology Thuwal Saudi Arabia Suzhou Lab Suzhou215123 China

Amorphous multi-element materials offer unprecedented tunability in composition and properties, yet their rational design remains challenging due to the lack of predictive structure-property relationships and the vast configurational space. Traditional modeling struggles to capture the intricate short-range order that dictates their stability and functionality. We here introduce ApolloX, a pioneering predictive framework for amorphous multi-element materials, establishing a new paradigm by integrating physics-informed generative modeling with particle swarm optimization, using chemical short-range order as an explicit constraint. By systematically navigating the disordered energy landscape, ApolloX enables the targeted design of thermodynamically stable amorphous configurations. It accurately predicts atomic-scale arrangements, including composition-driven metal clustering and amorphization trends, which are well-validated by experiments, while also guiding synthesis by leveraging sluggish diffusion to control elemental distribution and disorder. The resulting structural evolution, governed by composition, directly impacts catalytic performance, leading to improved activity and stability with increasing amorphization. This predictive-experimental synergy transforms the discovery of amorphous materials, unlocking new frontiers in catalysis, energy storage, and functional disordered systems. Copyright © 2025, The Authors. All rights reserved.

关键词： Amorphization

Modeling of V graded In(x)Ga(1-x)N solar cells: comparison of strained and relaxed features

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arXiv 2022年

作者： Sarollahi, Mirsaeid Alavijeh, Mohammad Zamani Aldawsari, Manal A. Allaparthi, Rohith Alhelais, Reem Refaei, Malak A. Maruf, Md. Helal Uddin Ware, Morgan E. University of Arkansas Electrical Engineering Department 3217 Bell Engineering Center FayettevilleAR72701 United States University of Arkansas Microelectronics-Photonics Program 731 West Dickson Street FayettevilleAR72701 United States University of Arkansas Material Science and Engineering 731 West Dickson Street FayettevilleAR72701 United States Institute for Nanoscience and Engineering FayettevilleAR72701 United States University of Arkansas Physics Department FayettevilleAR72701 United States

The optical properties of Λ graded InGaN solar cells are studied. Graded InGaN well structures with the indium composition increasing then decreasing in a Λ shaped pattern have been designed. Through polarization doping, this naturally creates alternating p-type and n-type regions. Separate structures are designed by varying the indium alloy profile from GaN to maximum indium concentrations ranging from 20% to 80%, while maintaining a constant overall structure thicknesses of 100 nm. The solar cell parameters under fully strained and relaxed conditions are considered. The results show that a maximum efficiency of ≅ 5.5%, under fully strained condition occurs at x=60%. Solar cell efficiency under relaxed conditions increases to a maximum of 8.3% at 90%. While Vegard’s law predicts the bandgap under relaxed conditions, a Vegard-like law is empirically determined from the output of Nextnano for varying In compositions in order to calculate solar cell parameters under strain. © 2022, CC BY.

关键词： Solar cells

Frustrated metastable-to-equilibrium grain boundary structural transition in NbMoTaW due to segregation and chemical complexity

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arXiv 2023年

作者： Geiger, Ian Apelian, Diran Pan, Xiaoqing Cao, Penghui Luo, Jian Rupert, Timothy J. Material and Manufacturing Technology University of California IrvineCA92697 United States Department of Materials Science and Engineering University of California IrvineCA92697 United States Department of Physics and Astronomy University of California IrvineCA92697 United States Department of Mechanical and Aerospace Engineering University of California IrvineCA92697 United States Department of NanoEngineering University of California San Diego La Jolla CA92093 United States Program in Materials Science and Engineering University of California San Diego La Jolla CA92093 United States

Grain boundary structural transitions can lead to significant changes in the properties and performance of materials. In multi-principal element alloys, understanding these transitions becomes complex due to phenomena such as local chemical ordering and multi-component segregation. Using atomistic simulations, we explore a metastable-to-equilibrium grain boundary structural transition in NbMoTaW. The transition, characterized by structural disordering and reduced free volume, shows high sensitivity to its local chemical environment. Most notably, the transition temperature range of the alloy is more than twice that of a pure metal. Differences in composition between coexisting metastable and equilibrium structures highlight the change in local site availability due to structural relaxation. Further examination of grain boundaries with fixed chemical states at varying temperatures reveals that the amount of segregation significantly influences the onset temperature yet has minimal effect on the transition width. These insights underscore the profound effect of chemical complexity and ordering on grain boundary transitions in complex concentrated alloys, marking a meaningful advancement in our understanding of grain boundary behavior at the atomic level. Copyright © 2023, The Authors. All rights reserved.

关键词： Grain boundaries